7NMX

Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-26
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	82.469, 111.993, 62.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 2.300
R-factor	0.174
Rwork	0.171
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.003
RMSD bond angle	0.506
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.150	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.041	0.064
Number of reflections	12756	925
<I/σ(I)>	18.3	12.5
Completeness [%]	97.1
Redundancy	3.2
CC(1/2)	0.997	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol.